methyl 2,4-dimethyl-5-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C19H26N4O3+2 MolecularWeight: 358.43474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H24N4O3/c1-13-17(19(25)26-3)14(2)21-18(13)15(24)12-22-8-10-23(11-9-22)16-6-4-5-7-20-16/h4-7,21H,8-12H2,1-3H3/p+2